706806-65-7
Product Name:
BOC-(S)-ALPHA-(4-FLUOROBENZYL)-PROLINE
Formula:
C17H22FNO4
Synonyms:
(S)-1-Boc-2-(4-fluorobenzyl)-2-pyrrolidinecarboxylic acid;Boc-α-(4-fluorobenzyl)-D -proline
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P321:Specific treatment (see … on this label). P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 323.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 323.15328635 g/mol |
| Monoisotopic Mass | 323.15328635 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 454 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |